N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide

C28H37N3O2 — CID 16989213

IUPACN-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
SMILESCc1ccc(OCCCCn2c(CCCCCNC(=O)C3CC3)nc3ccccc32)c(C)c1
InChIInChI=1S/C28H37N3O2/c1-21-13-16-26(22(2)20-21)33-19-9-8-18-31-25-11-6-5-10-24(25)30-27(31)12-4-3-7-17-29-28(32)23-14-15-23/h5-6,10-11,13,16,20,23H,3-4,7-9,12,14-15,17-19H2,1-2H3,(H,29,32)
InChIKeyCJWAHSDOKGBOHQ-UHFFFAOYSA-N
MW447.62 g/mol
LogP5.75
Rot. Bonds13

About N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide

N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide (PubChem CID 16989213) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
PubChem CID16989213
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
SMILESCc1ccc(OCCCCn2c(CCCCCNC(=O)C3CC3)nc3ccccc32)c(C)c1
InChIInChI=1S/C28H37N3O2/c1-21-13-16-26(22(2)20-21)33-19-9-8-18-31-25-11-6-5-10-24(25)30-27(31)12-4-3-7-17-29-28(32)23-14-15-23/h5-6,10-11,13,16,20,23H,3-4,7-9,12,14-15,17-19H2,1-2H3,(H,29,32)
InChIKeyCJWAHSDOKGBOHQ-UHFFFAOYSA-N
XLogP5.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988241
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992291
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988024
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987862
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993587
N-[5-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992424
2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993749
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981657
N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981724
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994883
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981697
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981715

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide (CID 16989213) is N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide is Cc1ccc(OCCCCn2c(CCCCCNC(=O)C3CC3)nc3ccccc32)c(C)c1.
What is the InChIKey of N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
The InChIKey is CJWAHSDOKGBOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-21-13-16-26(22(2)20-21)33-19-9-8-18-31-25-11-6-5-10-24(25)30-27(31)12-4-3-7-17-29-28(32)23-14-15-23/h5-6,10-11,13,16,20,23H,3-4,7-9,12,14-15,17-19H2,1-2H3,(H,29,32).
What are the key properties of N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide has a molecular weight of 447.62 g/mol, XLogP of 5.75, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide is sourced from PubChem (CID 16989213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).